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Intramolecular Hydrogen Bond in Glycine.

(density plot) (fused sphere model)

Electron density and fused sphere model of the H-bonded glycine conformer.

The electron density (6-31G*) is shown for the mirror plane of the molecule, with color changes at 0.01, 0.02, ..., 0.10, 0.15, 0.20, ..., 0.60, 0.85, 1.10, ..., 3.10, and 5.00 electrons/Bohr³. Saddle points in the electron density identify chemical bonds cf. "What is a bond?", R. F. W. Bader); the density values in these points are a measure for the strength of the corresponding bonds. According to this criterion, the hydrogen bond therefore is a true chemical bond with a strength of a few percent of a single bond. In the fused sphere model this weak bond leads to a characteristic overlap of the respective spheres. As a consequence of the hydrogen bond, the electron density around the nitrogen atom is significantly polarized.

back: glycine.
far back: Start of H-bond tour.

Exit: Quantum Chemistry Group.

Informations required by Austrian law (Offenlegung gem. §25 MedienG): Dr. Michael Ramek, Graz.